CID 142048626

C17H31O — CID 142048626

IUPAC—
SMILESC/C1=C/C=C/C=C\C=C1.CCCCC.COC.[CH3]
InChIInChI=1S/C9H10.C5H12.C2H6O.CH3/c1-9-7-5-3-2-4-6-8-9;1-3-5-4-2;1-3-2;/h2-8H,1H3;3-5H2,1-2H3;1-2H3;1H3/b3-2-,4-2?,5-3?,6-4?,7-5?,8-6?,9-7?,9-8-;;;
InChIKeyGPKVPTQQQUYWTN-ATMXNJAVSA-N
MW251.43 g/mol
LogP5.52
Rot. Bonds2

About CID 142048626

CID 142048626 (PubChem CID 142048626) has the molecular formula C17H31O and a molecular weight of 251.43 g/mol.

Molecular Properties

Compound NameCID 142048626
PubChem CID142048626
Molecular FormulaC17H31O
Molecular Weight251.43 g/mol
Exact Mass251.24
IUPAC Name—
SMILESC/C1=C/C=C/C=C\C=C1.CCCCC.COC.[CH3]
InChIInChI=1S/C9H10.C5H12.C2H6O.CH3/c1-9-7-5-3-2-4-6-8-9;1-3-5-4-2;1-3-2;/h2-8H,1H3;3-5H2,1-2H3;1-2H3;1H3/b3-2-,4-2?,5-3?,6-4?,7-5?,8-6?,9-7?,9-8-;;;
InChIKeyGPKVPTQQQUYWTN-ATMXNJAVSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 142048626?
The IUPAC name of CID 142048626 (CID 142048626) is not available.
What is the SMILES notation for CID 142048626?
The canonical SMILES for CID 142048626 is C/C1=C/C=C/C=C\C=C1.CCCCC.COC.[CH3].
What is the InChIKey of CID 142048626?
The InChIKey is GPKVPTQQQUYWTN-ATMXNJAVSA-N. The full InChI is InChI=1S/C9H10.C5H12.C2H6O.CH3/c1-9-7-5-3-2-4-6-8-9;1-3-5-4-2;1-3-2;/h2-8H,1H3;3-5H2,1-2H3;1-2H3;1H3/b3-2-,4-2?,5-3?,6-4?,7-5?,8-6?,9-7?,9-8-;;;.
What are the key properties of CID 142048626?
CID 142048626 has a molecular weight of 251.43 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142048626 is sourced from PubChem (CID 142048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).